N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide

C15H18N4O3 — CID 110319445

IUPACN-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCc1cccc(-c2nnc(CNC(=O)N3CCOCC3)o2)c1
InChIInChI=1S/C15H18N4O3/c1-11-3-2-4-12(9-11)14-18-17-13(22-14)10-16-15(20)19-5-7-21-8-6-19/h2-4,9H,5-8,10H2,1H3,(H,16,20)
InChIKeyNIGMSNBYBUGWBD-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.59
Rot. Bonds3

About N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide

N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 110319445) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide
PubChem CID110319445
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide
SMILESCc1cccc(-c2nnc(CNC(=O)N3CCOCC3)o2)c1
InChIInChI=1S/C15H18N4O3/c1-11-3-2-4-12(9-11)14-18-17-13(22-14)10-16-15(20)19-5-7-21-8-6-19/h2-4,9H,5-8,10H2,1H3,(H,16,20)
InChIKeyNIGMSNBYBUGWBD-UHFFFAOYSA-N
XLogP1.59
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide
CID 110321343
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
2-chloro-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319423
2-bromo-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319392
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110319435
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(3-methylphenyl)sulfanylpiperidine-1-carboxamide
CID 119063341
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319409
1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(4-methylphenyl)sulfonylurea
CID 110319446
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetic acid
CID 43352231
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide (CID 110319445) is N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide is Cc1cccc(-c2nnc(CNC(=O)N3CCOCC3)o2)c1.
What is the InChIKey of N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is NIGMSNBYBUGWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-3-2-4-12(9-11)14-18-17-13(22-14)10-16-15(20)19-5-7-21-8-6-19/h2-4,9H,5-8,10H2,1H3,(H,16,20).
What are the key properties of N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide?
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 110319445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).