N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide

C24H25N3O4 — CID 10251505

IUPACN-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(CC(=O)N3CCOCC3)noc2c1
InChIInChI=1S/C24H25N3O4/c1-15-2-3-17(24(29)25-18-5-6-18)12-20(15)16-4-7-19-21(26-31-22(19)13-16)14-23(28)27-8-10-30-11-9-27/h2-4,7,12-13,18H,5-6,8-11,14H2,1H3,(H,25,29)
InChIKeyPVFPJUSLWWMKAQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.10
Rot. Bonds5

About N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide

N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide (PubChem CID 10251505) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide
PubChem CID10251505
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(CC(=O)N3CCOCC3)noc2c1
InChIInChI=1S/C24H25N3O4/c1-15-2-3-17(24(29)25-18-5-6-18)12-20(15)16-4-7-19-21(26-31-22(19)13-16)14-23(28)27-8-10-30-11-9-27/h2-4,7,12-13,18H,5-6,8-11,14H2,1H3,(H,25,29)
InChIKeyPVFPJUSLWWMKAQ-UHFFFAOYSA-N
XLogP3.10
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide with MolForge

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Related Compounds

N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide
CID 10384952
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
CID 29202132
N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide
CID 58829076
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 10476224
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
3-(3-benzyl-4-oxoquinazolin-7-yl)-N-cyclopropyl-4-methylbenzamide
CID 11177317

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide (CID 10251505) is N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(CC(=O)N3CCOCC3)noc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide?
The InChIKey is PVFPJUSLWWMKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-2-3-17(24(29)25-18-5-6-18)12-20(15)16-4-7-19-21(26-31-22(19)13-16)14-23(28)27-8-10-30-11-9-27/h2-4,7,12-13,18H,5-6,8-11,14H2,1H3,(H,25,29).
What are the key properties of N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide is sourced from PubChem (CID 10251505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).