3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide

C17H19FN2O3 — CID 35261814

IUPAC3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C17H19FN2O3/c1-10(14-4-3-9-22-14)19-17(21)15-11(2)23-20-16(15)12-5-7-13(18)8-6-12/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,21)/t10-,14-/m0/s1
InChIKeyNNUZMNWWDQQGQS-HZMBPMFUSA-N
MW318.35 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide

3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 35261814) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
PubChem CID35261814
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C)[C@@H]1CCCO1
InChIInChI=1S/C17H19FN2O3/c1-10(14-4-3-9-22-14)19-17(21)15-11(2)23-20-16(15)12-5-7-13(18)8-6-12/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,21)/t10-,14-/m0/s1
InChIKeyNNUZMNWWDQQGQS-HZMBPMFUSA-N
XLogP3.09
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-5-methyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261820
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35256982
3-(4-fluorophenyl)-5-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2-oxazole-4-carboxamide
CID 94026544
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 39128435
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55605045
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 35246071

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide (CID 35261814) is 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C)[C@@H]1CCCO1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is NNUZMNWWDQQGQS-HZMBPMFUSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10(14-4-3-9-22-14)19-17(21)15-11(2)23-20-16(15)12-5-7-13(18)8-6-12/h5-8,10,14H,3-4,9H2,1-2H3,(H,19,21)/t10-,14-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide?
3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 35261814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).