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

C22H23N3O3 — CID 10384952

IUPACN-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)noc2c1
InChIInChI=1S/C22H23N3O3/c1-14-2-3-16(22(26)23-17-5-6-17)12-19(14)15-4-7-18-20(13-15)28-24-21(18)25-8-10-27-11-9-25/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,23,26)
InChIKeyDDMHLZXYNGOINR-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.53
Rot. Bonds4

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

N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide (PubChem CID 10384952) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide
PubChem CID10384952
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)noc2c1
InChIInChI=1S/C22H23N3O3/c1-14-2-3-16(22(26)23-17-5-6-17)12-19(14)15-4-7-18-20(13-15)28-24-21(18)25-8-10-27-11-9-25/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,23,26)
InChIKeyDDMHLZXYNGOINR-UHFFFAOYSA-N
XLogP3.53
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide
CID 10251505
N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide
CID 58829076
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
3-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-morpholin-4-yl-2-nitrobenzamide
CID 150139921
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
N-cyclopropyl-4-methyl-3-[4-[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 10476224
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide (CID 10384952) is N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)noc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide?
The InChIKey is DDMHLZXYNGOINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-2-3-16(22(26)23-17-5-6-17)12-19(14)15-4-7-18-20(13-15)28-24-21(18)25-8-10-27-11-9-25/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,23,26).
What are the key properties of N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide?
N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.53, 4 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-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 10384952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).