N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide

C19H25N3O3 — CID 110417932

IUPACN-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)NCCCCNC(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C19H25N3O3/c1-13-8-4-5-9-16(13)19-22-17(14(2)25-19)12-18(24)21-11-7-6-10-20-15(3)23/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCDNFECWXUOXSQF-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.53
Rot. Bonds8

About N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide

N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110417932) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110417932
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCC(=O)NCCCCNC(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C19H25N3O3/c1-13-8-4-5-9-16(13)19-22-17(14(2)25-19)12-18(24)21-11-7-6-10-20-15(3)23/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyCDNFECWXUOXSQF-UHFFFAOYSA-N
XLogP2.53
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110624732
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612675
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
N-(3-acetamidopropyl)-2-[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110630679
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110625162
N-[2-[[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]ethyl]benzamide
CID 110354604
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110608808
N-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110609935
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
CID 20955573
2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-methylsulfonylethyl)acetamide
CID 110612399

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110417932) is N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is CC(=O)NCCCCNC(=O)Cc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is CDNFECWXUOXSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-8-4-5-9-16(13)19-22-17(14(2)25-19)12-18(24)21-11-7-6-10-20-15(3)23/h4-5,8-9H,6-7,10-12H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide?
N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110417932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).