[2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate

C15H24N2O3 — CID 174791952

IUPAC[2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate
SMILESCc1cnc([C@H]2CC[C@@H](C(C)C(C)(C)OC(N)=O)C2)o1
InChIInChI=1S/C15H24N2O3/c1-9-8-17-13(19-9)12-6-5-11(7-12)10(2)15(3,4)20-14(16)18/h8,10-12H,5-7H2,1-4H3,(H2,16,18)/t10?,11-,12+/m1/s1
InChIKeyALAUBXMHUCTPKF-SAIIYOCFSA-N
MW280.37 g/mol
LogP3.38
Rot. Bonds4

About [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate

[2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate (PubChem CID 174791952) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate
PubChem CID174791952
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate
SMILESCc1cnc([C@H]2CC[C@@H](C(C)C(C)(C)OC(N)=O)C2)o1
InChIInChI=1S/C15H24N2O3/c1-9-8-17-13(19-9)12-6-5-11(7-12)10(2)15(3,4)20-14(16)18/h8,10-12H,5-7H2,1-4H3,(H2,16,18)/t10?,11-,12+/m1/s1
InChIKeyALAUBXMHUCTPKF-SAIIYOCFSA-N
XLogP3.38
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate?
The IUPAC name of [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate (CID 174791952) is [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate?
The canonical SMILES for [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate is Cc1cnc([C@H]2CC[C@@H](C(C)C(C)(C)OC(N)=O)C2)o1.
What is the InChIKey of [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate?
The InChIKey is ALAUBXMHUCTPKF-SAIIYOCFSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9-8-17-13(19-9)12-6-5-11(7-12)10(2)15(3,4)20-14(16)18/h8,10-12H,5-7H2,1-4H3,(H2,16,18)/t10?,11-,12+/m1/s1.
What are the key properties of [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate?
[2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate has a molecular weight of 280.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]butan-2-yl] carbamate is sourced from PubChem (CID 174791952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).