5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine

C19H24FN5O — CID 128997694

IUPAC5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nc2cc(F)ccc2o1
InChIInChI=1S/C19H24FN5O/c1-23-8-4-5-13(18(23)14-10-21-25(3)12-14)11-24(2)19-22-16-9-15(20)6-7-17(16)26-19/h6-7,9-10,12-13,18H,4-5,8,11H2,1-3H3/t13-,18+/m0/s1
InChIKeyYWHHWZXNPZRNQJ-SCLBCKFNSA-N
MW357.43 g/mol
LogP3.22
Rot. Bonds4

About 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine

5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine (PubChem CID 128997694) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine
PubChem CID128997694
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nc2cc(F)ccc2o1
InChIInChI=1S/C19H24FN5O/c1-23-8-4-5-13(18(23)14-10-21-25(3)12-14)11-24(2)19-22-16-9-15(20)6-7-17(16)26-19/h6-7,9-10,12-13,18H,4-5,8,11H2,1-3H3/t13-,18+/m0/s1
InChIKeyYWHHWZXNPZRNQJ-SCLBCKFNSA-N
XLogP3.22
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128998061
6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
CID 129006983
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128966899
N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]but-2-en-1-amine
CID 128994586
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 128998321
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129340224
1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one
CID 128992107
4-[1-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]ethyl]benzonitrile
CID 128998474
1-(1,3-benzoxazol-2-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methylethanamine
CID 128967992
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 128997868
N-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128992634
N,N-dimethyl-3-[[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]methyl]pyridin-4-amine
CID 167963596

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine (CID 128997694) is 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine is CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1nc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine?
The InChIKey is YWHHWZXNPZRNQJ-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-23-8-4-5-13(18(23)14-10-21-25(3)12-14)11-24(2)19-22-16-9-15(20)6-7-17(16)26-19/h6-7,9-10,12-13,18H,4-5,8,11H2,1-3H3/t13-,18+/m0/s1.
What are the key properties of 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine?
5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine has a molecular weight of 357.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 128997694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).