(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

C20H33N5O4 — CID 75529714

IUPAC(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2c(C)noc2C)CN(C)C(=O)C1
InChIInChI=1S/C20H33N5O4/c1-6-25(7-2)19(27)15-9-8-10-16(12-24(5)17(26)11-15)21-20(28)22-18-13(3)23-29-14(18)4/h15-16H,6-12H2,1-5H3,(H2,21,22,28)/t15-,16-/m1/s1
InChIKeyQJZANXAWMTYJRN-HZPDHXFCSA-N
MW407.52 g/mol
LogP2.30
Rot. Bonds5

About (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide

(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (PubChem CID 75529714) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
PubChem CID75529714
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Name(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2c(C)noc2C)CN(C)C(=O)C1
InChIInChI=1S/C20H33N5O4/c1-6-25(7-2)19(27)15-9-8-10-16(12-24(5)17(26)11-15)21-20(28)22-18-13(3)23-29-14(18)4/h15-16H,6-12H2,1-5H3,(H2,21,22,28)/t15-,16-/m1/s1
InChIKeyQJZANXAWMTYJRN-HZPDHXFCSA-N
XLogP2.30
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide (CID 75529714) is (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is CCN(CC)C(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2c(C)noc2C)CN(C)C(=O)C1.
What is the InChIKey of (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
The InChIKey is QJZANXAWMTYJRN-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-6-25(7-2)19(27)15-9-8-10-16(12-24(5)17(26)11-15)21-20(28)22-18-13(3)23-29-14(18)4/h15-16H,6-12H2,1-5H3,(H2,21,22,28)/t15-,16-/m1/s1.
What are the key properties of (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide?
(4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75529714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).