N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide

C19H20N4O2 — CID 124615499

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
SMILESCc1cc(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)no1
InChIInChI=1S/C19H20N4O2/c1-13-10-18(23-25-13)22-19(24)12-21-14(2)15-5-7-16(8-6-15)17-4-3-9-20-11-17/h3-11,14,21H,12H2,1-2H3,(H,22,23,24)/t14-/m0/s1
InChIKeyVCZGWYIXNVUZFE-AWEZNQCLSA-N
MW336.40 g/mol
LogP3.33
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide (PubChem CID 124615499) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
PubChem CID124615499
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
SMILESCc1cc(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)no1
InChIInChI=1S/C19H20N4O2/c1-13-10-18(23-25-13)22-19(24)12-21-14(2)15-5-7-16(8-6-15)17-4-3-9-20-11-17/h3-11,14,21H,12H2,1-2H3,(H,22,23,24)/t14-/m0/s1
InChIKeyVCZGWYIXNVUZFE-AWEZNQCLSA-N
XLogP3.33
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 97334723
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94017430
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 75443598
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 97334733
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
CID 96567500
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9368665
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]ethyl]sulfanylacetamide
CID 36612644
2-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110296524

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide (CID 124615499) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide is Cc1cc(NC(=O)CN[C@@H](C)c2ccc(-c3cccnc3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide?
The InChIKey is VCZGWYIXNVUZFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-10-18(23-25-13)22-19(24)12-21-14(2)15-5-7-16(8-6-15)17-4-3-9-20-11-17/h3-11,14,21H,12H2,1-2H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide has a molecular weight of 336.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 124615499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).