2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide

C15H16F3N3O3 — CID 3292420

IUPAC2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)co1
InChIInChI=1S/C15H16F3N3O3/c1-2-11(19)14-21-12(8-23-14)13(22)20-7-9-3-5-10(6-4-9)24-15(16,17)18/h3-6,8,11H,2,7,19H2,1H3,(H,20,22)
InChIKeyRVZBTTNNILGSEH-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.91
Rot. Bonds6

About 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide

2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3292420) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID3292420
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)co1
InChIInChI=1S/C15H16F3N3O3/c1-2-11(19)14-21-12(8-23-14)13(22)20-7-9-3-5-10(6-4-9)24-15(16,17)18/h3-6,8,11H,2,7,19H2,1H3,(H,20,22)
InChIKeyRVZBTTNNILGSEH-UHFFFAOYSA-N
XLogP2.91
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-2-methylbutyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3809377
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3801520
2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3807008
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-(1-amino-2-hydroxypropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3780465
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-methyl-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-4-carboxamide
CID 144874262
2-(1-amino-2-methylbutyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5100414
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 3292420) is 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RVZBTTNNILGSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-2-11(19)14-21-12(8-23-14)13(22)20-7-9-3-5-10(6-4-9)24-15(16,17)18/h3-6,8,11H,2,7,19H2,1H3,(H,20,22).
What are the key properties of 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3292420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).