(1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C21H25N3O4 — CID 128970264

IUPAC(1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)[C@@H]2C[C@]23CCOc2cc(C)c(C)cc23)no1
InChIInChI=1S/C21H25N3O4/c1-12-7-15-17(8-13(12)2)27-6-5-21(15)10-16(21)20(26)24(4)11-19(25)22-18-9-14(3)28-23-18/h7-9,16H,5-6,10-11H2,1-4H3,(H,22,23,25)/t16-,21-/m0/s1
InChIKeyLHBRDAQBMNKTRM-KKSFZXQISA-N
MW383.45 g/mol
LogP2.74
Rot. Bonds4

About (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 128970264) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID128970264
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name(1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)[C@@H]2C[C@]23CCOc2cc(C)c(C)cc23)no1
InChIInChI=1S/C21H25N3O4/c1-12-7-15-17(8-13(12)2)27-6-5-21(15)10-16(21)20(26)24(4)11-19(25)22-18-9-14(3)28-23-18/h7-9,16H,5-6,10-11H2,1-4H3,(H,22,23,25)/t16-,21-/m0/s1
InChIKeyLHBRDAQBMNKTRM-KKSFZXQISA-N
XLogP2.74
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 128970264) is (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is Cc1cc(NC(=O)CN(C)C(=O)[C@@H]2C[C@]23CCOc2cc(C)c(C)cc23)no1.
What is the InChIKey of (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is LHBRDAQBMNKTRM-KKSFZXQISA-N. The full InChI is InChI=1S/C21H25N3O4/c1-12-7-15-17(8-13(12)2)27-6-5-21(15)10-16(21)20(26)24(4)11-19(25)22-18-9-14(3)28-23-18/h7-9,16H,5-6,10-11H2,1-4H3,(H,22,23,25)/t16-,21-/m0/s1.
What are the key properties of (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-N,6,7-trimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 128970264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).