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

C17H20N2O3 — CID 29056659

IUPAC(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1noc2c1C[C@H](C)CC2
InChIInChI=1S/C17H20N2O3/c1-11-7-8-15-13(9-11)16(19-22-15)17(20)18-10-12-5-3-4-6-14(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyCIKCOJRXRWPNPK-LLVKDONJSA-N
MW300.36 g/mol
LogP2.74
Rot. Bonds4

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

(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 29056659) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID29056659
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1noc2c1C[C@H](C)CC2
InChIInChI=1S/C17H20N2O3/c1-11-7-8-15-13(9-11)16(19-22-15)17(20)18-10-12-5-3-4-6-14(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyCIKCOJRXRWPNPK-LLVKDONJSA-N
XLogP2.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(5R)-5-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40651666
(5S)-N-(2-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40660400
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 136527258
methyl (E)-4-[(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]but-2-enoate
CID 146099739
(5S)-N-(4-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40660402
N-benzyl-N-ethyl-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 20923895
N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947639
N-[4-(diethylamino)phenyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 19581940
(5S)-N-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 28718649
N-[(2-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919270
(5R)-5-methyl-N-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056675
N-[1-[(3-chloro-4-methoxyphenyl)methyl]pyrazol-4-yl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 171140757

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 29056659) is (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is COc1ccccc1CNC(=O)c1noc2c1C[C@H](C)CC2.
What is the InChIKey of (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is CIKCOJRXRWPNPK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-7-8-15-13(9-11)16(19-22-15)17(20)18-10-12-5-3-4-6-14(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 29056659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).