1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea

C14H13N5OS — CID 34924456

IUPAC1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNc1oc(-c2ccccc2)nc1C#N
InChIInChI=1S/C14H13N5OS/c1-2-8-16-14(21)19-18-13-11(9-15)17-12(20-13)10-6-4-3-5-7-10/h2-7,18H,1,8H2,(H2,16,19,21)
InChIKeyVYTZSYPAIZPJGY-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.19
Rot. Bonds5

About 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea

1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea (PubChem CID 34924456) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea
PubChem CID34924456
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNc1oc(-c2ccccc2)nc1C#N
InChIInChI=1S/C14H13N5OS/c1-2-8-16-14(21)19-18-13-11(9-15)17-12(20-13)10-6-4-3-5-7-10/h2-7,18H,1,8H2,(H2,16,19,21)
InChIKeyVYTZSYPAIZPJGY-UHFFFAOYSA-N
XLogP2.19
TPSA85.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(5,6-diphenyl-1,2,4-triazin-3-yl)amino]-3-prop-2-enylthiourea
CID 6406871
2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2941177
2-phenyl-5-(2-piperidin-1-ium-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 5152099
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 16646600
5-[[1-(dimethylamino)cyclohexyl]methylamino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 51064692
2-phenyl-5-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-oxazole-4-carbonitrile
CID 44615199
5-[2-hydroxyethyl(methyl)amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 163347594
5-[[(2S)-2-(4-fluorophenyl)pentyl]amino]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 100829600
1-(4-phenyl-1,3-thiazol-2-yl)-3-prop-2-enylthiourea
CID 4763317
benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate
CID 135394527
1-[(2-phenylquinoline-4-carbonyl)amino]-3-prop-2-enylthiourea
CID 12938019
2-(prop-2-enylcarbamothioylamino)benzoic acid
CID 71353597

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea?
The IUPAC name of 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea (CID 34924456) is 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea is C=CCNC(=S)NNc1oc(-c2ccccc2)nc1C#N.
What is the InChIKey of 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea?
The InChIKey is VYTZSYPAIZPJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-8-16-14(21)19-18-13-11(9-15)17-12(20-13)10-6-4-3-5-7-10/h2-7,18H,1,8H2,(H2,16,19,21).
What are the key properties of 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea?
1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea has a molecular weight of 299.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-3-prop-2-enylthiourea is sourced from PubChem (CID 34924456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).