(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide

C20H30N6O3 — CID 75529726

IUPAC(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)no1
InChIInChI=1S/C20H30N6O3/c1-14-9-17(24-29-14)11-23-20(28)15-5-4-6-16(13-26(3)19(27)10-15)22-12-18-21-7-8-25(18)2/h7-9,15-16,22H,4-6,10-13H2,1-3H3,(H,23,28)/t15-,16-/m1/s1
InChIKeyFJXNLJMFXBNKSZ-HZPDHXFCSA-N
MW402.50 g/mol
LogP1.14
Rot. Bonds6

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

(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide (PubChem CID 75529726) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
PubChem CID75529726
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC Name(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)no1
InChIInChI=1S/C20H30N6O3/c1-14-9-17(24-29-14)11-23-20(28)15-5-4-6-16(13-26(3)19(27)10-15)22-12-18-21-7-8-25(18)2/h7-9,15-16,22H,4-6,10-13H2,1-3H3,(H,23,28)/t15-,16-/m1/s1
InChIKeyFJXNLJMFXBNKSZ-HZPDHXFCSA-N
XLogP1.14
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide (CID 75529726) is (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide is Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCc3nccn3C)CN(C)C(=O)C2)no1.
What is the InChIKey of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The InChIKey is FJXNLJMFXBNKSZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H30N6O3/c1-14-9-17(24-29-14)11-23-20(28)15-5-4-6-16(13-26(3)19(27)10-15)22-12-18-21-7-8-25(18)2/h7-9,15-16,22H,4-6,10-13H2,1-3H3,(H,23,28)/t15-,16-/m1/s1.
What are the key properties of (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75529726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).