N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide

C15H16N4O3 — CID 143564682

IUPACN-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide
SMILESCC(=O)NC/C=N\C(=O)Nc1c(-c2ccccc2)noc1C
InChIInChI=1S/C15H16N4O3/c1-10-13(18-15(21)17-9-8-16-11(2)20)14(19-22-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,20)(H,18,21)/b17-9-
InChIKeyXNAAZOCDQBCTTI-MFOYZWKCSA-N
MW300.32 g/mol
LogP2.39
Rot. Bonds4

About N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide

N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide (PubChem CID 143564682) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide
PubChem CID143564682
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide
SMILESCC(=O)NC/C=N\C(=O)Nc1c(-c2ccccc2)noc1C
InChIInChI=1S/C15H16N4O3/c1-10-13(18-15(21)17-9-8-16-11(2)20)14(19-22-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,20)(H,18,21)/b17-9-
InChIKeyXNAAZOCDQBCTTI-MFOYZWKCSA-N
XLogP2.39
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea
CID 2814460
[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
CID 59074061
1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-(2-phenoxyphenyl)urea
CID 2813151
(benzylideneamino) N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 2726320
1-[4-[4-[4-(ethoxycarbonylamino)-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66964442
6-amino-5-chloro-N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 167760124
1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738199
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278
5-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 35365084
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enoic acid
CID 170872194
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 11688036

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide?
The IUPAC name of N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide (CID 143564682) is N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide.
What is the SMILES notation for N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide?
The canonical SMILES for N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide is CC(=O)NC/C=N\C(=O)Nc1c(-c2ccccc2)noc1C.
What is the InChIKey of N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide?
The InChIKey is XNAAZOCDQBCTTI-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10-13(18-15(21)17-9-8-16-11(2)20)14(19-22-10)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,16,20)(H,18,21)/b17-9-.
What are the key properties of N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide?
N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide has a molecular weight of 300.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamoylimino]ethyl]acetamide is sourced from PubChem (CID 143564682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).