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

C17H19FN2O3 — CID 75479531

IUPACN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(c1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C17H19FN2O3/c1-10-15(11(2)23-20-10)17(21)19-16(14-4-3-9-22-14)12-5-7-13(18)8-6-12/h5-8,14,16H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyRROMGLLSXIGLHD-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.08
Rot. Bonds4

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

N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 75479531) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID75479531
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(c1ccc(F)cc1)C1CCCO1
InChIInChI=1S/C17H19FN2O3/c1-10-15(11(2)23-20-10)17(21)19-16(14-4-3-9-22-14)12-5-7-13(18)8-6-12/h5-8,14,16H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyRROMGLLSXIGLHD-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]propanamide
CID 94633577
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
3-(4-fluorophenyl)-5-methyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261820
3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261814
N-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 96545451
6-(dimethylamino)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 94633691
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 97018110
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 94666591
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 75479531) is N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(c1ccc(F)cc1)C1CCCO1.
What is the InChIKey of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is RROMGLLSXIGLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10-15(11(2)23-20-10)17(21)19-16(14-4-3-9-22-14)12-5-7-13(18)8-6-12/h5-8,14,16H,3-4,9H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75479531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).