N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine

C13H14N4O — CID 121020808

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCN(Cc1ccnn1C)c1nc2ccccc2o1
InChIInChI=1S/C13H14N4O/c1-16(9-10-7-8-14-17(10)2)13-15-11-5-3-4-6-12(11)18-13/h3-8H,9H2,1-2H3
InChIKeyANZCWNXECCMMMC-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.20
Rot. Bonds3

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 121020808) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine
PubChem CID121020808
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCN(Cc1ccnn1C)c1nc2ccccc2o1
InChIInChI=1S/C13H14N4O/c1-16(9-10-7-8-14-17(10)2)13-15-11-5-3-4-6-12(11)18-13/h3-8H,9H2,1-2H3
InChIKeyANZCWNXECCMMMC-UHFFFAOYSA-N
XLogP2.20
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252
N'-(1,3-benzoxazol-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62587636
2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
CID 156778570
4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
CID 115883105
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1,3-benzoxazol-2-amine
CID 128979219
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
N-benzyl-N,5-dimethyl-1,3-benzoxazol-2-amine
CID 53376845
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451
N,N-diphenyl-1,3-benzoxazol-2-amine
CID 101462195
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine (CID 121020808) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine is CN(Cc1ccnn1C)c1nc2ccccc2o1.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is ANZCWNXECCMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-16(9-10-7-8-14-17(10)2)13-15-11-5-3-4-6-12(11)18-13/h3-8H,9H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 242.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 121020808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).