1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea

C17H26N4O3 — CID 124859901

IUPAC1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
SMILESCc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1
InChIInChI=1S/C17H26N4O3/c1-9-5-15(9)21-8-13(7-16(21)22)19-17(23)18-10(2)6-14-11(3)20-24-12(14)4/h9-10,13,15H,5-8H2,1-4H3,(H2,18,19,23)/t9-,10+,13-,15+/m1/s1
InChIKeyPJEHNLZLXHMFQK-JLBHGKSJSA-N
MW334.42 g/mol
LogP1.53
Rot. Bonds5

About 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea

1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea (PubChem CID 124859901) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
PubChem CID124859901
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
SMILESCc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1
InChIInChI=1S/C17H26N4O3/c1-9-5-15(9)21-8-13(7-16(21)22)19-17(23)18-10(2)6-14-11(3)20-24-12(14)4/h9-10,13,15H,5-8H2,1-4H3,(H2,18,19,23)/t9-,10+,13-,15+/m1/s1
InChIKeyPJEHNLZLXHMFQK-JLBHGKSJSA-N
XLogP1.53
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea with MolForge

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Related Compounds

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CID 122003063
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166211109
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]propanamide
CID 45211347
3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119797706
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
CID 84597373
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 95774144
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279
1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124844635
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
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1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea (CID 124859901) is 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea is Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1.
What is the InChIKey of 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea?
The InChIKey is PJEHNLZLXHMFQK-JLBHGKSJSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-9-5-15(9)21-8-13(7-16(21)22)19-17(23)18-10(2)6-14-11(3)20-24-12(14)4/h9-10,13,15H,5-8H2,1-4H3,(H2,18,19,23)/t9-,10+,13-,15+/m1/s1.
What are the key properties of 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea?
1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea has a molecular weight of 334.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 124859901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).