N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C16H15FN4O2 — CID 142372340

IUPACN-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(/C=C\Nc1ncco1)=N\C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H15FN4O2/c17-12-4-2-1-3-11(12)16(6-7-16)14(22)21-13(18)5-8-19-15-20-9-10-23-15/h1-5,8-10H,6-7H2,(H,19,20)(H2,18,21,22)/b8-5-
InChIKeyVPYBRXSOYXYBRE-YVMONPNESA-N
MW314.32 g/mol
LogP2.35
Rot. Bonds5

About N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 142372340) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID142372340
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(/C=C\Nc1ncco1)=N\C(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C16H15FN4O2/c17-12-4-2-1-3-11(12)16(6-7-16)14(22)21-13(18)5-8-19-15-20-9-10-23-15/h1-5,8-10H,6-7H2,(H,19,20)(H2,18,21,22)/b8-5-
InChIKeyVPYBRXSOYXYBRE-YVMONPNESA-N
XLogP2.35
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Oxazol-2-yl-3-phenethyl-urea
CID 482071
4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide
CID 70489070
2-(2,4-difluorophenyl)-N-[rel-(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)-4-piperidinyl]acetamide
CID 166615685
N-(1,3-oxazol-2-yl)-2-(2-phenylphenyl)acetamide
CID 54014834
N-(1,3-oxazol-2-yl)-2-phenylacetamide
CID 69198418
2-(1,3-Oxazol-2-ylcarbamoylamino)-3-phenylpropanamide
CID 140853046
N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 142372339
2-amino-N-(1,3-oxazol-2-yl)-3-phenylpropanamide
CID 155479224

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 142372340) is N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is NC(/C=C\Nc1ncco1)=N\C(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is VPYBRXSOYXYBRE-YVMONPNESA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-12-4-2-1-3-11(12)16(6-7-16)14(22)21-13(18)5-8-19-15-20-9-10-23-15/h1-5,8-10H,6-7H2,(H,19,20)(H2,18,21,22)/b8-5-.
What are the key properties of N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 142372340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).