N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine

C15H18N4O — CID 95278887

IUPACN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine
SMILESCc1cc(C)n(C[C@@H](C)Nc2nc3ccccc3o2)n1
InChIInChI=1S/C15H18N4O/c1-10-8-12(3)19(18-10)9-11(2)16-15-17-13-6-4-5-7-14(13)20-15/h4-8,11H,9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyFIPVVTCREVXREM-LLVKDONJSA-N
MW270.34 g/mol
LogP3.14
Rot. Bonds4

About N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 95278887) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine
PubChem CID95278887
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine
SMILESCc1cc(C)n(C[C@@H](C)Nc2nc3ccccc3o2)n1
InChIInChI=1S/C15H18N4O/c1-10-8-12(3)19(18-10)9-11(2)16-15-17-13-6-4-5-7-14(13)20-15/h4-8,11H,9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyFIPVVTCREVXREM-LLVKDONJSA-N
XLogP3.14
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97205590
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197634
ethyl 4-[3-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]pyrimidine-5-carboxylate
CID 171626422
N-(2,5-dimethylpyrrol-1-yl)-1,3-benzoxazol-2-amine
CID 79106270
N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine
CID 133331856
N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
CID 60715726
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
2-[3-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]-1,3-benzoxazole
CID 95609732
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
CID 65035675
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine (CID 95278887) is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine is Cc1cc(C)n(C[C@@H](C)Nc2nc3ccccc3o2)n1.
What is the InChIKey of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine?
The InChIKey is FIPVVTCREVXREM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-8-12(3)19(18-10)9-11(2)16-15-17-13-6-4-5-7-14(13)20-15/h4-8,11H,9H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine?
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 270.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 95278887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).