(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone

C16H26N2O2 — CID 95930711

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC[C@H](C)CC[C@@H]2C(C)C)o1
InChIInChI=1S/C16H26N2O2/c1-10(2)14-7-6-11(3)8-9-18(14)16(19)15-12(4)17-13(5)20-15/h10-11,14H,6-9H2,1-5H3/t11-,14-/m1/s1
InChIKeyBSEWZPVIJZJTJI-BXUZGUMPSA-N
MW278.40 g/mol
LogP3.58
Rot. Bonds2

About (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone (PubChem CID 95930711) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone
PubChem CID95930711
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC[C@H](C)CC[C@@H]2C(C)C)o1
InChIInChI=1S/C16H26N2O2/c1-10(2)14-7-6-11(3)8-9-18(14)16(19)15-12(4)17-13(5)20-15/h10-11,14H,6-9H2,1-5H3/t11-,14-/m1/s1
InChIKeyBSEWZPVIJZJTJI-BXUZGUMPSA-N
XLogP3.58
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone (CID 95930711) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone is Cc1nc(C)c(C(=O)N2CC[C@H](C)CC[C@@H]2C(C)C)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone?
The InChIKey is BSEWZPVIJZJTJI-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)14-7-6-11(3)8-9-18(14)16(19)15-12(4)17-13(5)20-15/h10-11,14H,6-9H2,1-5H3/t11-,14-/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone has a molecular weight of 278.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R,5R)-5-methyl-2-propan-2-ylazepan-1-yl]methanone is sourced from PubChem (CID 95930711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).