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

C16H17FN4O2 — CID 142372339

IUPACN-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESNC(/C=C\Nc1ncco1)=N\C(=O)C1(c2ccccc2F)CC1.[H][H]
InChIInChI=1S/C16H15FN4O2.H2/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);1H/b8-5-;
InChIKeyGYXQNYQHUQPRRG-HGKIGUAWSA-N
MW316.34 g/mol
LogP2.60
Rot. Bonds5

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

N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 142372339) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 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 hydrogen.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID142372339
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESNC(/C=C\Nc1ncco1)=N\C(=O)C1(c2ccccc2F)CC1.[H][H]
InChIInChI=1S/C16H15FN4O2.H2/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);1H/b8-5-;
InChIKeyGYXQNYQHUQPRRG-HGKIGUAWSA-N
XLogP2.60
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.60
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

4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide
CID 70489070
N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372340
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
N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide
CID 90036677
2-(1,3-Oxazol-2-ylcarbamoylamino)-3-phenylpropanamide
CID 140853046
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;molecular hydrogen?
The IUPAC name of N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 142372339) is N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen.
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;molecular hydrogen?
The canonical SMILES for N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen is NC(/C=C\Nc1ncco1)=N\C(=O)C1(c2ccccc2F)CC1.[H][H].
What is the InChIKey of N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is GYXQNYQHUQPRRG-HGKIGUAWSA-N. The full InChI is InChI=1S/C16H15FN4O2.H2/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);1H/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;molecular hydrogen?
N-[(Z)-1-amino-3-(1,3-oxazol-2-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 316.34 g/mol, XLogP of 2.60, 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;molecular hydrogen is sourced from PubChem (CID 142372339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).