N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide

C18H24N2O3 — CID 95935380

IUPACN-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCO[C@@H](CCNC(=O)c1cc(-c2ccccc2)no1)C(C)C
InChIInChI=1S/C18H24N2O3/c1-4-22-16(13(2)3)10-11-19-18(21)17-12-15(20-23-17)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyDDHSVDIQQGOVNB-INIZCTEOSA-N
MW316.40 g/mol
LogP3.52
Rot. Bonds8

About N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 95935380) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID95935380
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCCO[C@@H](CCNC(=O)c1cc(-c2ccccc2)no1)C(C)C
InChIInChI=1S/C18H24N2O3/c1-4-22-16(13(2)3)10-11-19-18(21)17-12-15(20-23-17)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyDDHSVDIQQGOVNB-INIZCTEOSA-N
XLogP3.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61137160
N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119584563
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
N-(1-hydroxybutan-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 43428096
methyl 2-[(3-phenyl-1,2-oxazole-5-carbonyl)-propan-2-ylamino]acetate
CID 78885231
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262550
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55645989
N-(5-oxo-5-pyrrolidin-1-ylpentyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 121262543
3-phenyl-N-(3-piperazin-1-ylpropyl)-1,2-oxazole-5-carboxamide
CID 119393897
3-phenyl-N-(2,4,4-trimethylpentan-2-yl)-1,2-oxazole-5-carboxamide
CID 55670941

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 95935380) is N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide is CCO[C@@H](CCNC(=O)c1cc(-c2ccccc2)no1)C(C)C.
What is the InChIKey of N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is DDHSVDIQQGOVNB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-22-16(13(2)3)10-11-19-18(21)17-12-15(20-23-17)14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-ethoxy-4-methylpentyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95935380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).