(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C17H20N2O2 — CID 28886755

IUPAC(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2noc3c2C[C@H](C)CC3)cc1
InChIInChI=1S/C17H20N2O2/c1-11-3-6-13(7-4-11)10-18-17(20)16-14-9-12(2)5-8-15(14)21-19-16/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeySPTIRDVYSNLDJK-GFCCVEGCSA-N
MW284.36 g/mol
LogP3.04
Rot. Bonds3

About (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 28886755) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID28886755
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2noc3c2C[C@H](C)CC3)cc1
InChIInChI=1S/C17H20N2O2/c1-11-3-6-13(7-4-11)10-18-17(20)16-14-9-12(2)5-8-15(14)21-19-16/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeySPTIRDVYSNLDJK-GFCCVEGCSA-N
XLogP3.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

(5S)-5-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40660417
(5S)-N-(4-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40660402
(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056659
(5R)-5-methyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056649
N-(2-hydroxy-5-methylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 22427619
5-methyl-N-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254425
(5S)-N-(2-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40660400
methyl (E)-4-[(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]but-2-enoate
CID 146099739
N-[4-(diethylamino)phenyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19581940
5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254461
(5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056643
N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947639

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 28886755) is (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1ccc(CNC(=O)c2noc3c2C[C@H](C)CC3)cc1.
What is the InChIKey of (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is SPTIRDVYSNLDJK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-3-6-13(7-4-11)10-18-17(20)16-14-9-12(2)5-8-15(14)21-19-16/h3-4,6-7,12H,5,8-10H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
(5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 28886755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).