1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea

C17H13N5O2 — CID 6604926

IUPAC1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
SMILESCc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
InChIInChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChIKeyAKMNUCBQGHFICM-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.72
Rot. Bonds2

About 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea

1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea (PubChem CID 6604926) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea.

Molecular Properties

Compound Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
PubChem CID6604926
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
SMILESCc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
InChIInChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChIKeyAKMNUCBQGHFICM-UHFFFAOYSA-N
XLogP3.72
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methylbenzoxazol-6-yl)-3-(1,5)naphthyridin-4-yl urea hydrochloride
CID 9798764
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
CID 71542383
1-(2-Methyl-1,3-benzoxazol-6-yl)-3-(2-methylquinolin-4-yl)urea
CID 9797672
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(2-methylpropyl)-1,3-benzoxazol-4-amine
CID 66679957
4-[[1-(5-Cyano-2-pyridinyl)piperidin-4-yl]amino]-6-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
CID 68241371
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide
CID 71542381
6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide
CID 71542476
1-(2-Methyl-1,3-benzoxazol-6-yl)-3-quinolin-4-ylurea
CID 18475581
1-(2-Methyl-1,3-benzoxazol-6-yl)-3-[6-(trifluoromethyl)quinolin-4-yl]urea
CID 44533664
11-Propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 45268313
1-(2-Amino-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
CID 162643601

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea?
The IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea (CID 6604926) is 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea.
What is the SMILES notation for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea?
The canonical SMILES for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea is Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1.
What is the InChIKey of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea?
The InChIKey is AKMNUCBQGHFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23).
What are the key properties of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea?
1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea has a molecular weight of 319.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea is sourced from PubChem (CID 6604926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).