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

C18H21FN2O3 — CID 71935038

IUPACN-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C18H21FN2O3/c1-12-17(13(2)24-20-12)18(22)21(11-16-7-4-8-23-16)10-14-5-3-6-15(19)9-14/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3
InChIKeyNPZITIAJWFUTLO-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.25
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 71935038) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID71935038
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC NameN-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C18H21FN2O3/c1-12-17(13(2)24-20-12)18(22)21(11-16-7-4-8-23-16)10-14-5-3-6-15(19)9-14/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3
InChIKeyNPZITIAJWFUTLO-UHFFFAOYSA-N
XLogP3.25
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 49338039
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
4-bromo-N-[(3-fluorophenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 49393069
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
N-[(3-fluorophenyl)methyl]-1,3,6-trimethyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 49337892
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
CID 49393187
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119759142
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 71935038) is N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is NPZITIAJWFUTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-12-17(13(2)24-20-12)18(22)21(11-16-7-4-8-23-16)10-14-5-3-6-15(19)9-14/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide?
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 71935038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).