2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol

C11H15N3O2 — CID 115120319

IUPAC2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
SMILESCc1nc2ccc(NCC(N)CO)cc2o1
InChIInChI=1S/C11H15N3O2/c1-7-14-10-3-2-9(4-11(10)16-7)13-5-8(12)6-15/h2-4,8,13,15H,5-6,12H2,1H3
InChIKeyRWUXENSMALFFFM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol

2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol (PubChem CID 115120319) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
PubChem CID115120319
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol
SMILESCc1nc2ccc(NCC(N)CO)cc2o1
InChIInChI=1S/C11H15N3O2/c1-7-14-10-3-2-9(4-11(10)16-7)13-5-8(12)6-15/h2-4,8,13,15H,5-6,12H2,1H3
InChIKeyRWUXENSMALFFFM-UHFFFAOYSA-N
XLogP0.87
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
N'-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 115197129
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
N-ethyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115205626
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
[3-[[(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248821
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
3-methyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115219748
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol?
The IUPAC name of 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol (CID 115120319) is 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol is Cc1nc2ccc(NCC(N)CO)cc2o1.
What is the InChIKey of 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol?
The InChIKey is RWUXENSMALFFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-14-10-3-2-9(4-11(10)16-7)13-5-8(12)6-15/h2-4,8,13,15H,5-6,12H2,1H3.
What are the key properties of 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol?
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]propan-1-ol is sourced from PubChem (CID 115120319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).