1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea

C16H19N5O3 — CID 118776043

IUPAC1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESCCN1C(=O)COc2ccc(NC(=O)NCCc3cnc[nH]3)cc21
InChIInChI=1S/C16H19N5O3/c1-2-21-13-7-11(3-4-14(13)24-9-15(21)22)20-16(23)18-6-5-12-8-17-10-19-12/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,17,19)(H2,18,20,23)
InChIKeyAKSZINLPZGOIKS-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.52
Rot. Bonds5

About 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea

1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea (PubChem CID 118776043) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
PubChem CID118776043
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
SMILESCCN1C(=O)COc2ccc(NC(=O)NCCc3cnc[nH]3)cc21
InChIInChI=1S/C16H19N5O3/c1-2-21-13-7-11(3-4-14(13)24-9-15(21)22)20-16(23)18-6-5-12-8-17-10-19-12/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,17,19)(H2,18,20,23)
InChIKeyAKSZINLPZGOIKS-UHFFFAOYSA-N
XLogP1.52
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea with MolForge

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Related Compounds

1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-pyridin-2-ylpropyl)urea
CID 118782796
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97455447
1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 65231458
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide
CID 52904693
1-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 65231540
1-[2-(methanesulfonamido)ethyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)urea
CID 125130737
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea
CID 118778907
1-benzyl-3-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]urea
CID 59261279
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35673203
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The IUPAC name of 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea (CID 118776043) is 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea is CCN1C(=O)COc2ccc(NC(=O)NCCc3cnc[nH]3)cc21.
What is the InChIKey of 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
The InChIKey is AKSZINLPZGOIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-2-21-13-7-11(3-4-14(13)24-9-15(21)22)20-16(23)18-6-5-12-8-17-10-19-12/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,17,19)(H2,18,20,23).
What are the key properties of 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea?
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea has a molecular weight of 329.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea is sourced from PubChem (CID 118776043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).