1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea

C15H19N5O2 — CID 95624373

IUPAC1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(N[C@H](C)c2nnc(C)o2)cc1
InChIInChI=1S/C15H19N5O2/c1-4-9-16-15(21)18-13-7-5-12(6-8-13)17-10(2)14-20-19-11(3)22-14/h4-8,10,17H,1,9H2,2-3H3,(H2,16,18,21)/t10-/m1/s1
InChIKeyLBAMOXCNFRFPSE-SNVBAGLBSA-N
MW301.35 g/mol
LogP2.86
Rot. Bonds6

About 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea

1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea (PubChem CID 95624373) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea
PubChem CID95624373
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(N[C@H](C)c2nnc(C)o2)cc1
InChIInChI=1S/C15H19N5O2/c1-4-9-16-15(21)18-13-7-5-12(6-8-13)17-10(2)14-20-19-11(3)22-14/h4-8,10,17H,1,9H2,2-3H3,(H2,16,18,21)/t10-/m1/s1
InChIKeyLBAMOXCNFRFPSE-SNVBAGLBSA-N
XLogP2.86
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
3-[4-(prop-2-enylcarbamoylamino)phenyl]butanoic acid
CID 113420057
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 120559670
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 87039150
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
CID 17277594
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
2-amino-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 119702323

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea?
The IUPAC name of 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea (CID 95624373) is 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(N[C@H](C)c2nnc(C)o2)cc1.
What is the InChIKey of 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea?
The InChIKey is LBAMOXCNFRFPSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-4-9-16-15(21)18-13-7-5-12(6-8-13)17-10(2)14-20-19-11(3)22-14/h4-8,10,17H,1,9H2,2-3H3,(H2,16,18,21)/t10-/m1/s1.
What are the key properties of 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea?
1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea has a molecular weight of 301.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-3-prop-2-enylurea is sourced from PubChem (CID 95624373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).