5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C18H21N3O3 — CID 155872314

IUPAC5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)NC(=O)c1noc2c1CC(NC(=O)c1ccccc1)CC2
InChIInChI=1S/C18H21N3O3/c1-11(2)19-18(23)16-14-10-13(8-9-15(14)24-21-16)20-17(22)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyDVLYRFNLJRCQJA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.10
Rot. Bonds4

About 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 155872314) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID155872314
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC(C)NC(=O)c1noc2c1CC(NC(=O)c1ccccc1)CC2
InChIInChI=1S/C18H21N3O3/c1-11(2)19-18(23)16-14-10-13(8-9-15(14)24-21-16)20-17(22)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyDVLYRFNLJRCQJA-UHFFFAOYSA-N
XLogP2.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871324
formic acid;5-(2-phenylethylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155878205
5-[(1-methylpyrazole-3-carbonyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871461
5-(1,3-oxazole-4-carbonylamino)-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871304
5-[(6-methyl-2-pyridinyl)methylamino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155876703
N-(cyclopropylmethyl)-5-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871127
N-cyclopentyl-5-(1,3-oxazole-4-carbonylamino)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155871769
2-fluoro-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzamide
CID 155871322
(5R)-5-methyl-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056649
N-(furan-2-ylmethyl)-5-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155870774
5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
CID 135397627
N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-4-fluorobenzamide
CID 155878118

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 155872314) is 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC(C)NC(=O)c1noc2c1CC(NC(=O)c1ccccc1)CC2.
What is the InChIKey of 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is DVLYRFNLJRCQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11(2)19-18(23)16-14-10-13(8-9-15(14)24-21-16)20-17(22)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-propan-2-yl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 155872314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).