1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea

C19H28N4O4 — CID 118778907

IUPAC1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCCN1C(=O)COc2ccc(NC(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)cc21
InChIInChI=1S/C19H28N4O4/c1-5-23-15-8-13(6-7-16(15)27-11-18(23)24)20-19(25)21-14-9-22(12(2)3)10-17(14)26-4/h6-8,12,14,17H,5,9-11H2,1-4H3,(H2,20,21,25)/t14-,17-/m0/s1
InChIKeyRXFUXKWLRCRPRQ-YOEHRIQHSA-N
MW376.46 g/mol
LogP1.66
Rot. Bonds5

About 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea

1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea (PubChem CID 118778907) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea
PubChem CID118778907
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCCN1C(=O)COc2ccc(NC(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)cc21
InChIInChI=1S/C19H28N4O4/c1-5-23-15-8-13(6-7-16(15)27-11-18(23)24)20-19(25)21-14-9-22(12(2)3)10-17(14)26-4/h6-8,12,14,17H,5,9-11H2,1-4H3,(H2,20,21,25)/t14-,17-/m0/s1
InChIKeyRXFUXKWLRCRPRQ-YOEHRIQHSA-N
XLogP1.66
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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
methyl 4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4-hydroxybutanoate
CID 82347035
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxamide
CID 52904693
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 118776043
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-pyridin-2-ylpropyl)urea
CID 118782796
4-ethyl-6-hydroxy-1,4-benzoxazin-3-one
CID 82063398
6-(2-bromopropyl)-4-ethyl-1,4-benzoxazin-3-one
CID 82254891
1-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea
CID 72886030
N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
CID 110493196
N-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35673203
1-(3,5-dimethoxyphenyl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea
CID 30378505
2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide
CID 110493193

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea (CID 118778907) is 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea is CCN1C(=O)COc2ccc(NC(=O)N[C@H]3CN(C(C)C)C[C@@H]3OC)cc21.
What is the InChIKey of 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea?
The InChIKey is RXFUXKWLRCRPRQ-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-5-23-15-8-13(6-7-16(15)27-11-18(23)24)20-19(25)21-14-9-22(12(2)3)10-17(14)26-4/h6-8,12,14,17H,5,9-11H2,1-4H3,(H2,20,21,25)/t14-,17-/m0/s1.
What are the key properties of 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea?
1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea has a molecular weight of 376.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-3-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 118778907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).