N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide

C15H14F3N3O2 — CID 162558490

IUPACN-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide
SMILESCC(=O)NC1=CNCC=C1c1nc2c(o1)C=CC(C(F)(F)F)C2
InChIInChI=1S/C15H14F3N3O2/c1-8(22)20-12-7-19-5-4-10(12)14-21-11-6-9(15(16,17)18)2-3-13(11)23-14/h2-4,7,9,19H,5-6H2,1H3,(H,20,22)
InChIKeyJNYHWUZTUVZTQU-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.39
Rot. Bonds2

About N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide

N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide (PubChem CID 162558490) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide
PubChem CID162558490
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC NameN-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide
SMILESCC(=O)NC1=CNCC=C1c1nc2c(o1)C=CC(C(F)(F)F)C2
InChIInChI=1S/C15H14F3N3O2/c1-8(22)20-12-7-19-5-4-10(12)14-21-11-6-9(15(16,17)18)2-3-13(11)23-14/h2-4,7,9,19H,5-6H2,1H3,(H,20,22)
InChIKeyJNYHWUZTUVZTQU-UHFFFAOYSA-N
XLogP2.39
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole
CID 143792169
2-methoxy-1H-pyridin-4-one;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 178040375
(1E,3Z)-2-fluoro-3-[5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazol-2-yl]hexa-1,3-dien-1-amine
CID 162558482
(3Z,5E)-5-[5-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2-piperidin-3-yl-1,3-oxazol-4-yl]hepta-3,5-dienal
CID 89220931
3-Amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one
CID 153402937
4-(4,5-dihydro-1,3-benzoxazol-2-yl)-1-N-(3-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-diene-1,2-diamine
CID 163569965

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide?
The IUPAC name of N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide (CID 162558490) is N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide.
What is the SMILES notation for N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide?
The canonical SMILES for N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide is CC(=O)NC1=CNCC=C1c1nc2c(o1)C=CC(C(F)(F)F)C2.
What is the InChIKey of N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide?
The InChIKey is JNYHWUZTUVZTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-8(22)20-12-7-19-5-4-10(12)14-21-11-6-9(15(16,17)18)2-3-13(11)23-14/h2-4,7,9,19H,5-6H2,1H3,(H,20,22).
What are the key properties of N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide?
N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide has a molecular weight of 325.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide is sourced from PubChem (CID 162558490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).