[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C19H24N4O4S — CID 171719198

IUPAC[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCc1cc(CC(=O)Nc2ncc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)s2)on1
InChIInChI=1S/C19H24N4O4S/c1-11-7-14(27-23-11)9-16(24)21-17-20-10-15(28-17)12-3-4-13(8-12)26-18(25)22-19(2)5-6-19/h7,10,12-13H,3-6,8-9H2,1-2H3,(H,22,25)(H,20,21,24)/t12-,13+/m1/s1
InChIKeyVLZNLKKHHGIJBF-OLZOCXBDSA-N
MW404.49 g/mol
LogP3.54
Rot. Bonds6

About [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 171719198) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID171719198
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESCc1cc(CC(=O)Nc2ncc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)s2)on1
InChIInChI=1S/C19H24N4O4S/c1-11-7-14(27-23-11)9-16(24)21-17-20-10-15(28-17)12-3-4-13(8-12)26-18(25)22-19(2)5-6-19/h7,10,12-13H,3-6,8-9H2,1-2H3,(H,22,25)(H,20,21,24)/t12-,13+/m1/s1
InChIKeyVLZNLKKHHGIJBF-OLZOCXBDSA-N
XLogP3.54
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(1S,3R)-3-hydroxycyclopentyl]-1,3-thiazol-2-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 164880406
dimethyl 2-(3-oxocyclopentyl)propanedioate;[(1R,3S)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 175968129
[(1S,4R)-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cycloheptyl] N-(1-methylcyclopropyl)carbamate
CID 164879606
[3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 167143152
[(1R,3S)-3-methyl-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 164879460
[(1R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 167144088
[(1S,2R,4R)-2-fluoro-4-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169143596
[(1R,3S)-3-[3-[[2-(5-methylpyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616562
[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] (2S)-2-amino-3-methylbutanoate
CID 164879612
N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 164879508
2-(3-methyl-1,2-oxazol-5-yl)-N-[5-[(1S,3S)-3-[5-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163309
[(1R,3S)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] 2-ethyl-2-methylazetidine-1-carboxylate
CID 154616568

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 171719198) is [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is Cc1cc(CC(=O)Nc2ncc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)s2)on1.
What is the InChIKey of [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is VLZNLKKHHGIJBF-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-11-7-14(27-23-11)9-16(24)21-17-20-10-15(28-17)12-3-4-13(8-12)26-18(25)22-19(2)5-6-19/h7,10,12-13H,3-6,8-9H2,1-2H3,(H,22,25)(H,20,21,24)/t12-,13+/m1/s1.
What are the key properties of [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 404.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 171719198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).