N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

C20H20N2O3 — CID 164633300

IUPACN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCn1c(=O)oc2c(C(=O)N[C@H]3CC(C)(C)c4ccccc43)cccc21
InChIInChI=1S/C20H20N2O3/c1-20(2)11-15(12-7-4-5-9-14(12)20)21-18(23)13-8-6-10-16-17(13)25-19(24)22(16)3/h4-10,15H,11H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyVEYKXVCXHPEPKB-HNNXBMFYSA-N
MW336.39 g/mol
LogP3.28
Rot. Bonds2

About N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 164633300) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID164633300
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCn1c(=O)oc2c(C(=O)N[C@H]3CC(C)(C)c4ccccc43)cccc21
InChIInChI=1S/C20H20N2O3/c1-20(2)11-15(12-7-4-5-9-14(12)20)21-18(23)13-8-6-10-16-17(13)25-19(24)22(16)3/h4-10,15H,11H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyVEYKXVCXHPEPKB-HNNXBMFYSA-N
XLogP3.28
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (CID 164633300) is N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is Cn1c(=O)oc2c(C(=O)N[C@H]3CC(C)(C)c4ccccc43)cccc21.
What is the InChIKey of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is VEYKXVCXHPEPKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-20(2)11-15(12-7-4-5-9-14(12)20)21-18(23)13-8-6-10-16-17(13)25-19(24)22(16)3/h4-10,15H,11H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 164633300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).