1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea

C13H17N3O3 — CID 110894504

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NC(C)(C)CO)cc2o1
InChIInChI=1S/C13H17N3O3/c1-8-14-10-5-4-9(6-11(10)19-8)15-12(18)16-13(2,3)7-17/h4-6,17H,7H2,1-3H3,(H2,15,16,18)
InChIKeyAQSOQSRSKXZAPT-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.03
Rot. Bonds3

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea (PubChem CID 110894504) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
PubChem CID110894504
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NC(C)(C)CO)cc2o1
InChIInChI=1S/C13H17N3O3/c1-8-14-10-5-4-9(6-11(10)19-8)15-12(18)16-13(2,3)7-17/h4-6,17H,7H2,1-3H3,(H2,15,16,18)
InChIKeyAQSOQSRSKXZAPT-UHFFFAOYSA-N
XLogP2.03
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
2-methyl-3-(methylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842897
4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
CID 86921847
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
4-methyl-4-[(2-pyridin-2-yl-1,3-benzoxazol-6-yl)carbamoylamino]pentanoic acid
CID 122089064

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea (CID 110894504) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea is Cc1nc2ccc(NC(=O)NC(C)(C)CO)cc2o1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is AQSOQSRSKXZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-14-10-5-4-9(6-11(10)19-8)15-12(18)16-13(2,3)7-17/h4-6,17H,7H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 263.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 110894504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).