N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide

C18H22N2O2 — CID 125144746

IUPACN,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)o1
InChIInChI=1S/C18H22N2O2/c1-12-17(22-13(2)19-12)18(21)20(3)16-11-7-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-11H2,1-3H3/t15-,16-/m0/s1
InChIKeyHLPVBPFHTVNTCW-HOTGVXAUSA-N
MW298.39 g/mol
LogP3.70
Rot. Bonds3

About N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide

N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide (PubChem CID 125144746) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide
PubChem CID125144746
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)o1
InChIInChI=1S/C18H22N2O2/c1-12-17(22-13(2)19-12)18(21)20(3)16-11-7-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-11H2,1-3H3/t15-,16-/m0/s1
InChIKeyHLPVBPFHTVNTCW-HOTGVXAUSA-N
XLogP3.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide (CID 125144746) is N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)o1.
What is the InChIKey of N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide?
The InChIKey is HLPVBPFHTVNTCW-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-17(22-13(2)19-12)18(21)20(3)16-11-7-10-15(16)14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-11H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide?
N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 125144746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).