N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide

C20H30N4O7 — CID 155374986

IUPACN-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](NC(=O)CNC(=O)c1cc(C)on1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C20H30N4O7/c1-11(2)6-13(17(26)20(4)10-30-20)23-19(28)15(9-29-5)22-16(25)8-21-18(27)14-7-12(3)31-24-14/h7,11,13,15H,6,8-10H2,1-5H3,(H,21,27)(H,22,25)(H,23,28)/t13-,15-,20+/m0/s1
InChIKeyNXIYQLWQLXCOKB-ZQGRQUNCSA-N
MW438.48 g/mol
LogP-0.27
Rot. Bonds12

About N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 155374986) has the molecular formula C20H30N4O7 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID155374986
Molecular FormulaC20H30N4O7
Molecular Weight438.48 g/mol
Exact Mass438.21
IUPAC NameN-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](NC(=O)CNC(=O)c1cc(C)on1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C20H30N4O7/c1-11(2)6-13(17(26)20(4)10-30-20)23-19(28)15(9-29-5)22-16(25)8-21-18(27)14-7-12(3)31-24-14/h7,11,13,15H,6,8-10H2,1-5H3,(H,21,27)(H,22,25)(H,23,28)/t13-,15-,20+/m0/s1
InChIKeyNXIYQLWQLXCOKB-ZQGRQUNCSA-N
XLogP-0.27
TPSA152.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 155374986) is N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)CNC(=O)c1cc(C)on1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.
What is the InChIKey of N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NXIYQLWQLXCOKB-ZQGRQUNCSA-N. The full InChI is InChI=1S/C20H30N4O7/c1-11(2)6-13(17(26)20(4)10-30-20)23-19(28)15(9-29-5)22-16(25)8-21-18(27)14-7-12(3)31-24-14/h7,11,13,15H,6,8-10H2,1-5H3,(H,21,27)(H,22,25)(H,23,28)/t13-,15-,20+/m0/s1.
What are the key properties of N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of -0.27, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155374986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).