3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

C17H18N4O2 — CID 41088648

IUPAC3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccco1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H18N4O2/c1-13(20-17(22)9-8-16-3-2-10-23-16)14-4-6-15(7-5-14)21-12-18-11-19-21/h2-7,10-13H,8-9H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyWYMQROGNRKUQGJ-ZDUSSCGKSA-N
MW310.36 g/mol
LogP2.67
Rot. Bonds6

About 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 41088648) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
PubChem CID41088648
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccco1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H18N4O2/c1-13(20-17(22)9-8-16-3-2-10-23-16)14-4-6-15(7-5-14)21-12-18-11-19-21/h2-7,10-13H,8-9H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyWYMQROGNRKUQGJ-ZDUSSCGKSA-N
XLogP2.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (CID 41088648) is 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is WYMQROGNRKUQGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13(20-17(22)9-8-16-3-2-10-23-16)14-4-6-15(7-5-14)21-12-18-11-19-21/h2-7,10-13H,8-9H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 41088648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).