N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide

C14H24N4O2 — CID 66256131

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C14H24N4O2/c1-3-4-16-13-9-20-8-12(13)14(19)17-11(2)7-18-6-5-15-10-18/h5-6,10-13,16H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyVAKCUMWJUFPBPY-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.40
Rot. Bonds7

About N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66256131) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66256131
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)Cn1ccnc1
InChIInChI=1S/C14H24N4O2/c1-3-4-16-13-9-20-8-12(13)14(19)17-11(2)7-18-6-5-15-10-18/h5-6,10-13,16H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyVAKCUMWJUFPBPY-UHFFFAOYSA-N
XLogP0.40
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254828
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
4-(ethylamino)-N-(4-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 83177200
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120939612

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide (CID 66256131) is N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is VAKCUMWJUFPBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-4-16-13-9-20-8-12(13)14(19)17-11(2)7-18-6-5-15-10-18/h5-6,10-13,16H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66256131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).