1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide

C19H24N4O5 — CID 110085996

IUPAC1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C(C)=O
InChIInChI=1S/C19H24N4O5/c1-12-4-5-16-14(10-12)23(19(27)28-16)7-6-17(25)21-8-9-22(13(2)24)15(11-21)18(26)20-3/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,26)
InChIKeyBDXWXHXXBOGRPL-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.10
Rot. Bonds4

About 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide

1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide (PubChem CID 110085996) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
PubChem CID110085996
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C(C)=O
InChIInChI=1S/C19H24N4O5/c1-12-4-5-16-14(10-12)23(19(27)28-16)7-6-17(25)21-8-9-22(13(2)24)15(11-21)18(26)20-3/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,26)
InChIKeyBDXWXHXXBOGRPL-UHFFFAOYSA-N
XLogP0.10
TPSA104.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide (CID 110085996) is 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide is CNC(=O)C1CN(C(=O)CCn2c(=O)oc3ccc(C)cc32)CCN1C(C)=O.
What is the InChIKey of 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
The InChIKey is BDXWXHXXBOGRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-12-4-5-16-14(10-12)23(19(27)28-16)7-6-17(25)21-8-9-22(13(2)24)15(11-21)18(26)20-3/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,26).
What are the key properties of 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide?
1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide is sourced from PubChem (CID 110085996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).