propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate

C18H25N5O4 — CID 169079594

IUPACpropan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
SMILESCc1coc(CC(=O)Nc2cc([C@H]3CC[C@@H](NC(=O)OC(C)C)C3)[nH]n2)n1
InChIInChI=1S/C18H25N5O4/c1-10(2)27-18(25)20-13-5-4-12(6-13)14-7-15(23-22-14)21-16(24)8-17-19-11(3)9-26-17/h7,9-10,12-13H,4-6,8H2,1-3H3,(H,20,25)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKeyWAPQERUTTHKBJX-QWHCGFSZSA-N
MW375.43 g/mol
LogP2.66
Rot. Bonds6

About propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate

propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (PubChem CID 169079594) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
PubChem CID169079594
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Namepropan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
SMILESCc1coc(CC(=O)Nc2cc([C@H]3CC[C@@H](NC(=O)OC(C)C)C3)[nH]n2)n1
InChIInChI=1S/C18H25N5O4/c1-10(2)27-18(25)20-13-5-4-12(6-13)14-7-15(23-22-14)21-16(24)8-17-19-11(3)9-26-17/h7,9-10,12-13H,4-6,8H2,1-3H3,(H,20,25)(H2,21,22,23,24)/t12-,13+/m0/s1
InChIKeyWAPQERUTTHKBJX-QWHCGFSZSA-N
XLogP2.66
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 164518716
propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079607
propan-2-yl N-[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079578
butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169013946
ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079582
N-[5-[(1S,3R)-3-[(1-methylcyclopropyl)carbamoylamino]cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 164879508
propan-2-yl N-[3-[3-[4-(deuteriomethylsulfonyl)-2-fluoroanilino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 168878404
propan-2-yl N-[3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 164879515
N-[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]benzamide
CID 164879657
N-[5-[3-(methylamino)cyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide;N-propan-2-ylformamide
CID 164879553
[(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
propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079558

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The IUPAC name of propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (CID 169079594) is propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is Cc1coc(CC(=O)Nc2cc([C@H]3CC[C@@H](NC(=O)OC(C)C)C3)[nH]n2)n1.
What is the InChIKey of propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The InChIKey is WAPQERUTTHKBJX-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-10(2)27-18(25)20-13-5-4-12(6-13)14-7-15(23-22-14)21-16(24)8-17-19-11(3)9-26-17/h7,9-10,12-13H,4-6,8H2,1-3H3,(H,20,25)(H2,21,22,23,24)/t12-,13+/m0/s1.
What are the key properties of propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate has a molecular weight of 375.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is sourced from PubChem (CID 169079594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).