1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea

C17H19N5O2 — CID 95349793

IUPAC1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESCc1nc2ccc(NC(=O)N[C@@H]3CCCc4c3cnn4C)cc2o1
InChIInChI=1S/C17H19N5O2/c1-10-19-14-7-6-11(8-16(14)24-10)20-17(23)21-13-4-3-5-15-12(13)9-18-22(15)2/h6-9,13H,3-5H2,1-2H3,(H2,20,21,23)/t13-/m1/s1
InChIKeyNJQRWEPGPXMBTH-CYBMUJFWSA-N
MW325.37 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea

1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea (PubChem CID 95349793) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
PubChem CID95349793
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
SMILESCc1nc2ccc(NC(=O)N[C@@H]3CCCc4c3cnn4C)cc2o1
InChIInChI=1S/C17H19N5O2/c1-10-19-14-7-6-11(8-16(14)24-10)20-17(23)21-13-4-3-5-15-12(13)9-18-22(15)2/h6-9,13H,3-5H2,1-2H3,(H2,20,21,23)/t13-/m1/s1
InChIKeyNJQRWEPGPXMBTH-CYBMUJFWSA-N
XLogP3.07
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 71942472
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 47026059
1-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164715
N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide
CID 56795741
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 97054067
(2R)-N-[3-[[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 93252443
2,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
CID 94187673
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 97071251
1-[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 97071249
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 94178850

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The IUPAC name of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea (CID 95349793) is 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea.
What is the SMILES notation for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The canonical SMILES for 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea is Cc1nc2ccc(NC(=O)N[C@@H]3CCCc4c3cnn4C)cc2o1.
What is the InChIKey of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
The InChIKey is NJQRWEPGPXMBTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-19-14-7-6-11(8-16(14)24-10)20-17(23)21-13-4-3-5-15-12(13)9-18-22(15)2/h6-9,13H,3-5H2,1-2H3,(H2,20,21,23)/t13-/m1/s1.
What are the key properties of 1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea?
1-(2-methyl-1,3-benzoxazol-6-yl)-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea has a molecular weight of 325.37 g/mol, XLogP of 3.07, 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-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea is sourced from PubChem (CID 95349793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).