[(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate

C18H17BrN4O3 — CID 170081316

IUPAC[(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1nc(-c2onc(C)c2NC(=O)O[C@H](C)c2cccnc2)ccc1Br
InChIInChI=1S/C18H17BrN4O3/c1-10-14(19)6-7-15(21-10)17-16(11(2)23-26-17)22-18(24)25-12(3)13-5-4-8-20-9-13/h4-9,12H,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyRDLOWMHBXZXXJM-GFCCVEGCSA-N
MW417.26 g/mol
LogP4.82
Rot. Bonds4

About [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate

[(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 170081316) has the molecular formula C18H17BrN4O3 and a molecular weight of 417.26 g/mol. Its IUPAC name is [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID170081316
Molecular FormulaC18H17BrN4O3
Molecular Weight417.26 g/mol
Exact Mass416.05
IUPAC Name[(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1nc(-c2onc(C)c2NC(=O)O[C@H](C)c2cccnc2)ccc1Br
InChIInChI=1S/C18H17BrN4O3/c1-10-14(19)6-7-15(21-10)17-16(11(2)23-26-17)22-18(24)25-12(3)13-5-4-8-20-9-13/h4-9,12H,1-3H3,(H,22,24)/t12-/m1/s1
InChIKeyRDLOWMHBXZXXJM-GFCCVEGCSA-N
XLogP4.82
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyrazin-2-ylethyl N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 67523584
1-phenylethyl N-[5-(4-aminophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 123814852
1-phenylethyl N-[3-methyl-5-(3-methylphenyl)-1,2-oxazol-4-yl]carbamate
CID 22279648
1-phenylethyl N-[5-[4-(chloromethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 90769298
2-[4-[5-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]butanoic acid
CID 70875847
1-phenylethyl N-[3-methyl-5-[4-[4-(1-methylcyclopropyl)phenyl]phenyl]-1,2-oxazol-4-yl]carbamate
CID 166119000
4-[2,6-difluoro-4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenoxy]pyridine-3-carboxylic acid
CID 90299116
2-[[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]methoxy]-3-phenylpropanoic acid
CID 86290787
1-(3-fluorophenyl)ethyl N-[3-methyl-5-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-4-yl]carbamate
CID 160805239
1-phenylethyl N-[3-methyl-5-(3-nitrophenyl)-1,2-oxazol-4-yl]carbamate
CID 22279533
ethyl 1-[4-[4-[4-[[(1R)-1-(3-bromophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 118059223
1-phenylethyl N-[5-[4-(2,3-dihydro-1H-inden-5-yl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 159784936

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate (CID 170081316) is [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate is Cc1nc(-c2onc(C)c2NC(=O)O[C@H](C)c2cccnc2)ccc1Br.
What is the InChIKey of [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is RDLOWMHBXZXXJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17BrN4O3/c1-10-14(19)6-7-15(21-10)17-16(11(2)23-26-17)22-18(24)25-12(3)13-5-4-8-20-9-13/h4-9,12H,1-3H3,(H,22,24)/t12-/m1/s1.
What are the key properties of [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
[(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 417.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-pyridin-3-ylethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 170081316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).