N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C19H26N2O3 — CID 110607236

IUPACN-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1CCCCNC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C19H26N2O3/c1-13(2)18-17(14(3)21-24-18)19(22)20-12-8-7-10-15-9-5-6-11-16(15)23-4/h5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,20,22)
InChIKeyBOEYZXHNGFQEQW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.87
Rot. Bonds8

About N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 110607236) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID110607236
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1CCCCNC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C19H26N2O3/c1-13(2)18-17(14(3)21-24-18)19(22)20-12-8-7-10-15-9-5-6-11-16(15)23-4/h5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,20,22)
InChIKeyBOEYZXHNGFQEQW-UHFFFAOYSA-N
XLogP3.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110614864
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 37485588
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110609277
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide
CID 110616077
N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110622415
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110630869
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 92685168
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780
methyl 2-hydroxy-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 103958065
1-tert-butyl-3-[4-(2-methoxyphenyl)butyl]urea
CID 110661390

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 110607236) is N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is COc1ccccc1CCCCNC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is BOEYZXHNGFQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)18-17(14(3)21-24-18)19(22)20-12-8-7-10-15-9-5-6-11-16(15)23-4/h5-6,9,11,13H,7-8,10,12H2,1-4H3,(H,20,22).
What are the key properties of N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110607236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).