N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide

C16H16F3N3O2 — CID 175955635

IUPACN-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide
SMILESC=CCN(C=O)CCCc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H16F3N3O2/c1-2-9-22(11-23)10-3-4-12-5-7-13(8-6-12)14-20-15(24-21-14)16(17,18)19/h2,5-8,11H,1,3-4,9-10H2
InChIKeyWFMSZTLBBBCJQY-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.33
Rot. Bonds8

About N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide

N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide (PubChem CID 175955635) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide
PubChem CID175955635
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide
SMILESC=CCN(C=O)CCCc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H16F3N3O2/c1-2-9-22(11-23)10-3-4-12-5-7-13(8-6-12)14-20-15(24-21-14)16(17,18)19/h2,5-8,11H,1,3-4,9-10H2
InChIKeyWFMSZTLBBBCJQY-UHFFFAOYSA-N
XLogP3.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopentanecarboxamide
CID 155768713
6-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]hexan-3-one
CID 147853907
1-prop-2-enyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 135326353
methyl-oxo-prop-2-enyl-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-λ6-sulfane
CID 153332475
3-[methyl(prop-2-enyl)amino]-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]anilino]cyclobut-3-ene-1,2-dione
CID 155192015
N-(2-hydroxyethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768861
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
2-methoxypropane;N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]formamide
CID 176697616
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanimine
CID 160536624
N-(cyclopropylmethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-4-enamide
CID 155768960
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-4-enamide
CID 155768284
4-[2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]tetrazol-5-yl]benzaldehyde
CID 139532785

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide?
The IUPAC name of N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide (CID 175955635) is N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide.
What is the SMILES notation for N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide?
The canonical SMILES for N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide is C=CCN(C=O)CCCc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide?
The InChIKey is WFMSZTLBBBCJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-2-9-22(11-23)10-3-4-12-5-7-13(8-6-12)14-20-15(24-21-14)16(17,18)19/h2,5-8,11H,1,3-4,9-10H2.
What are the key properties of N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide?
N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide has a molecular weight of 339.32 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propyl]formamide is sourced from PubChem (CID 175955635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).