4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

C20H23N5O3 — CID 55802709

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H23N5O3/c26-18(9-4-13-25-16-7-1-2-8-17(16)28-20(25)27)23-15-6-3-12-24(14-15)19-21-10-5-11-22-19/h1-2,5,7-8,10-11,15H,3-4,6,9,12-14H2,(H,23,26)
InChIKeyPUBPZSLNLMFLGO-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.95
Rot. Bonds6

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (PubChem CID 55802709) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
PubChem CID55802709
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H23N5O3/c26-18(9-4-13-25-16-7-1-2-8-17(16)28-20(25)27)23-15-6-3-12-24(14-15)19-21-10-5-11-22-19/h1-2,5,7-8,10-11,15H,3-4,6,9,12-14H2,(H,23,26)
InChIKeyPUBPZSLNLMFLGO-UHFFFAOYSA-N
XLogP1.95
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 24542983
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
2-(4-oxoquinolin-1-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 99646202
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2477104
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
CID 125165028
3-(2-oxoazepan-1-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 131928797
N-(1-benzylpiperidin-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32744912
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (CID 55802709) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The InChIKey is PUBPZSLNLMFLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-18(9-4-13-25-16-7-1-2-8-17(16)28-20(25)27)23-15-6-3-12-24(14-15)19-21-10-5-11-22-19/h1-2,5,7-8,10-11,15H,3-4,6,9,12-14H2,(H,23,26).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide has a molecular weight of 381.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is sourced from PubChem (CID 55802709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).