N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide

C21H24N2O2 — CID 95074884

IUPACN-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2o1
InChIInChI=1S/C21H24N2O2/c1-14(2)21-23-18-12-11-17(13-19(18)25-21)20(24)22-15(3)9-10-16-7-5-4-6-8-16/h4-8,11-15H,9-10H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyQBXPFAPSOFGSDT-OAHLLOKOSA-N
MW336.44 g/mol
LogP4.70
Rot. Bonds6

About N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide

N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 95074884) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
PubChem CID95074884
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCC(C)c1nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2o1
InChIInChI=1S/C21H24N2O2/c1-14(2)21-23-18-12-11-17(13-19(18)25-21)20(24)22-15(3)9-10-16-7-5-4-6-8-16/h4-8,11-15H,9-10H2,1-3H3,(H,22,24)/t15-/m1/s1
InChIKeyQBXPFAPSOFGSDT-OAHLLOKOSA-N
XLogP4.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
2-chloro-N-[(2R)-4-hydroxybutan-2-yl]-1,3-benzoxazole-6-carboxamide
CID 100786984
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-(4-phenylbutan-2-yl)-2-pyridin-1-ium-4-yl-3H-benzimidazole-5-carboxamide
CID 18686014
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide (CID 95074884) is N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is CC(C)c1nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2o1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is QBXPFAPSOFGSDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(2)21-23-18-12-11-17(13-19(18)25-21)20(24)22-15(3)9-10-16-7-5-4-6-8-16/h4-8,11-15H,9-10H2,1-3H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide?
N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-2-propan-2-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 95074884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).