N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

C20H24N4O3 — CID 92613561

IUPACN-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)on2)cc1
InChIInChI=1S/C20H24N4O3/c1-20(2,3)18(12-24-10-9-21-13-24)22-19(25)17-11-16(23-27-17)14-5-7-15(26-4)8-6-14/h5-11,13,18H,12H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyRADISBBMTPISRQ-GOSISDBHSA-N
MW368.44 g/mol
LogP3.39
Rot. Bonds6

About N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide

N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 92613561) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID92613561
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)on2)cc1
InChIInChI=1S/C20H24N4O3/c1-20(2,3)18(12-24-10-9-21-13-24)22-19(25)17-11-16(23-27-17)14-5-7-15(26-4)8-6-14/h5-11,13,18H,12H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyRADISBBMTPISRQ-GOSISDBHSA-N
XLogP3.39
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide
CID 75373427
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 131905635
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide
CID 126425068
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 78975141
1-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 94805776
5-(1-ethylpyrazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 46978813
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide (CID 92613561) is N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is COc1ccc(-c2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)on2)cc1.
What is the InChIKey of N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RADISBBMTPISRQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-20(2,3)18(12-24-10-9-21-13-24)22-19(25)17-11-16(23-27-17)14-5-7-15(26-4)8-6-14/h5-11,13,18H,12H2,1-4H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide?
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92613561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).