3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide

C23H19N3O3 — CID 86923799

IUPAC3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)cc2o1
InChIInChI=1S/C23H19N3O3/c1-13-24-19-9-8-17(12-21(19)29-13)25-23(28)18-10-15-4-2-3-5-16(15)11-20(18)26-22(27)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,25,28)(H,26,27)
InChIKeyCGBVNEXFKJFSFW-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.89
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide (PubChem CID 86923799) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide
PubChem CID86923799
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)cc2o1
InChIInChI=1S/C23H19N3O3/c1-13-24-19-9-8-17(12-21(19)29-13)25-23(28)18-10-15-4-2-3-5-16(15)11-20(18)26-22(27)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,25,28)(H,26,27)
InChIKeyCGBVNEXFKJFSFW-UHFFFAOYSA-N
XLogP4.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 134022231
N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729021
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
CID 24673279
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
CID 24595212
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 112525589
(2S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 95330780
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide (CID 86923799) is 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide is Cc1nc2ccc(NC(=O)c3cc4ccccc4cc3NC(=O)C3CC3)cc2o1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide?
The InChIKey is CGBVNEXFKJFSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-13-24-19-9-8-17(12-21(19)29-13)25-23(28)18-10-15-4-2-3-5-16(15)11-20(18)26-22(27)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 86923799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).