N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide

C22H28FN3O3 — CID 46023595

IUPACN-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)CC1CC1
InChIInChI=1S/C22H28FN3O3/c1-15(2)21(27)26(13-16-3-4-16)14-19-20(17-5-7-18(23)8-6-17)24-29-22(19)25-9-11-28-12-10-25/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyIHNSFIKPTLYVTR-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.71
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide

N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 46023595) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
PubChem CID46023595
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)CC1CC1
InChIInChI=1S/C22H28FN3O3/c1-15(2)21(27)26(13-16-3-4-16)14-19-20(17-5-7-18(23)8-6-17)24-29-22(19)25-9-11-28-12-10-25/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyIHNSFIKPTLYVTR-UHFFFAOYSA-N
XLogP3.71
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide (CID 46023595) is N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is IHNSFIKPTLYVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-15(2)21(27)26(13-16-3-4-16)14-19-20(17-5-7-18(23)8-6-17)24-29-22(19)25-9-11-28-12-10-25/h5-8,15-16H,3-4,9-14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide?
N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 401.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 46023595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).