N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine

C17H17FN2O — CID 114828353

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC(C)Cc3ccccc3F)ccc2o1
InChIInChI=1S/C17H17FN2O/c1-11(9-13-5-3-4-6-15(13)18)19-14-7-8-17-16(10-14)20-12(2)21-17/h3-8,10-11,19H,9H2,1-2H3
InChIKeyNDCPZQPGXQZSFK-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.32
Rot. Bonds4

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

N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 114828353) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine
PubChem CID114828353
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC(C)Cc3ccccc3F)ccc2o1
InChIInChI=1S/C17H17FN2O/c1-11(9-13-5-3-4-6-15(13)18)19-14-7-8-17-16(10-14)20-12(2)21-17/h3-8,10-11,19H,9H2,1-2H3
InChIKeyNDCPZQPGXQZSFK-UHFFFAOYSA-N
XLogP4.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol
CID 115951019
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877
2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 9490452
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 82964735
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43769785
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 47027516
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830485
N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43110726

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine (CID 114828353) is N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine is Cc1nc2cc(NC(C)Cc3ccccc3F)ccc2o1.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is NDCPZQPGXQZSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11(9-13-5-3-4-6-15(13)18)19-14-7-8-17-16(10-14)20-12(2)21-17/h3-8,10-11,19H,9H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine?
N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 284.33 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 114828353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).