(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide

C24H29N5O5 — CID 125002159

IUPAC(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
SMILESCCCn1c(=O)oc2cc(NC(=O)CN3CCN(c4ccc(OC)cc4)C[C@@H]3C(N)=O)ccc21
InChIInChI=1S/C24H29N5O5/c1-3-10-29-19-9-4-16(13-21(19)34-24(29)32)26-22(30)15-28-12-11-27(14-20(28)23(25)31)17-5-7-18(33-2)8-6-17/h4-9,13,20H,3,10-12,14-15H2,1-2H3,(H2,25,31)(H,26,30)/t20-/m1/s1
InChIKeySIJBPCHMHVNKRT-HXUWFJFHSA-N
MW467.53 g/mol
LogP1.63
Rot. Bonds8

About (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide

(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide (PubChem CID 125002159) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
PubChem CID125002159
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
SMILESCCCn1c(=O)oc2cc(NC(=O)CN3CCN(c4ccc(OC)cc4)C[C@@H]3C(N)=O)ccc21
InChIInChI=1S/C24H29N5O5/c1-3-10-29-19-9-4-16(13-21(19)34-24(29)32)26-22(30)15-28-12-11-27(14-20(28)23(25)31)17-5-7-18(33-2)8-6-17/h4-9,13,20H,3,10-12,14-15H2,1-2H3,(H2,25,31)(H,26,30)/t20-/m1/s1
InChIKeySIJBPCHMHVNKRT-HXUWFJFHSA-N
XLogP1.63
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-4-benzyl-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
CID 125005444
1-[2-(3-acetamido-4-methylanilino)-2-oxoethyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110152768
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 132780211
(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 129455255
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
N-(4-methoxyphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 19260112
(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 95821736
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797422

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide (CID 125002159) is (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide is CCCn1c(=O)oc2cc(NC(=O)CN3CCN(c4ccc(OC)cc4)C[C@@H]3C(N)=O)ccc21.
What is the InChIKey of (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide?
The InChIKey is SIJBPCHMHVNKRT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-3-10-29-19-9-4-16(13-21(19)34-24(29)32)26-22(30)15-28-12-11-27(14-20(28)23(25)31)17-5-7-18(33-2)8-6-17/h4-9,13,20H,3,10-12,14-15H2,1-2H3,(H2,25,31)(H,26,30)/t20-/m1/s1.
What are the key properties of (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide?
(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 125002159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).